General Information of the Compound
| Compound ID |
CP0451761
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3909821
Show/Hide
|
||||||||||||||||||
| Formula |
C24H35N5O2S
|
||||||||||||||||||
| Molecular Weight |
457.644
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H35N5O2S/c30-24(29-15-17-31-18-16-29)25-20-7-5-19(6-8-20)9-10-27-11-13-28(14-12-27)23-21-3-1-2-4-22(21)32-26-23/h1-4,19-20H,5-18H2,(H,25,30)/t19-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
UGARTUSUDTUCHH-MXVIHJGJSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor